V9X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C10 | doub | 1.21Å | 1.21Å | |
| C10 | N1 | sing | 1.35Å | 1.35Å | |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | doub | 1.34Å | 1.37Å | Aromatic |
| C7 | N | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | C6 | sing | 1.51Å | 1.46Å | |
| C6 | C4 | sing | 1.46Å | 1.41Å | Aromatic |
| N | C3 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.42Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C | doub | 1.37Å | 1.37Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.38Å | Aromatic |
| C | C1 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.08Å | 1.08Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C10 | N1 | 120.2° | 120.0° |
| O | C10 | C9 | 121.6° | 120.0° |
| N1 | C10 | C9 | 118.2° | 120.0° |
| C10 | N1 | H1 | 120.0° | 120.0° |
| C10 | N1 | H2 | 120.0° | 120.0° |
| C10 | C9 | C8 | 113.2° | 109.5° |
| C10 | C9 | H6 | 108.6° | 109.5° |
| C10 | C9 | H7 | 108.5° | 109.5° |
| C9 | C8 | C6 | 108.5° | 109.5° |
| C9 | C8 | H4 | 109.7° | 109.5° |
| C9 | C8 | H5 | 109.7° | 109.4° |
| C8 | C9 | H6 | 108.5° | 109.5° |
| C8 | C9 | H7 | 108.5° | 109.5° |
| C6 | C7 | N | 109.9° | 109.9° |
| C7 | C6 | C8 | 129.0° | 126.5° |
| C7 | C6 | C4 | 107.1° | 107.0° |
| C6 | C7 | H3 | 125.1° | 125.0° |
| C7 | N | C3 | 108.1° | 109.9° |
| N | C7 | H3 | 125.1° | 125.1° |
| C7 | N | H12 | 125.9° | 125.0° |
| C8 | C6 | C4 | 123.9° | 126.5° |
| C6 | C8 | H4 | 109.7° | 109.5° |
| C6 | C8 | H5 | 109.7° | 109.5° |
| C6 | C4 | C3 | 107.0° | 106.0° |
| C6 | C4 | C5 | 133.1° | 134.0° |
| N | C3 | C4 | 107.9° | 107.1° |
| N | C3 | C2 | 129.4° | 133.6° |
| C3 | N | H12 | 126.0° | 125.0° |
| C3 | C4 | C5 | 119.9° | 119.9° |
| C4 | C3 | C2 | 122.7° | 119.3° |
| C4 | C5 | C | 117.7° | 119.8° |
| C4 | C5 | H9 | 121.2° | 120.1° |
| C3 | C2 | C1 | 115.7° | 119.8° |
| C3 | C2 | H10 | 122.2° | 120.1° |
| C5 | C | C1 | 122.1° | 120.5° |
| C | C5 | H9 | 121.2° | 120.1° |
| C5 | C | H11 | 119.0° | 119.7° |
| C2 | C1 | C | 122.0° | 120.6° |
| C2 | C1 | H8 | 119.0° | 119.7° |
| C1 | C2 | H10 | 122.2° | 120.1° |
| C | C1 | H8 | 119.0° | 119.7° |
| C1 | C | H11 | 119.0° | 119.8° |
| H1 | N1 | H2 | 120.0° | 120.0° |
| H4 | C8 | H5 | 109.5° | 109.5° |
| H6 | C9 | H7 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C10 | N1 | C9 | 179.3° | 180.0° |
| O | C10 | C9 | C8 | 178.3° | 0.0° |
| O | C10 | N1 | H1 | 0.0° | 0.0° |
| O | C10 | N1 | H2 | 180.0° | 179.7° |
| O | C10 | C9 | H6 | 57.7° | 120.0° |
| O | C10 | C9 | H7 | 61.1° | 120.0° |
| N1 | C10 | C9 | C8 | 1.0° | 180.0° |
| C10 | N1 | H1 | H2 | 180.0° | 179.7° |
| N1 | C10 | C9 | H6 | 121.6° | 60.0° |
| N1 | C10 | C9 | H7 | 119.6° | 60.0° |
| C10 | C9 | C8 | H6 | 120.6° | 120.0° |
| C10 | C9 | C8 | H7 | 120.5° | 120.0° |
| C10 | C9 | C8 | C6 | 173.1° | 180.0° |
| C9 | C10 | N1 | H1 | 179.3° | 180.0° |
| C9 | C10 | N1 | H2 | 0.7° | 0.3° |
| C10 | C9 | C8 | H4 | 67.0° | 60.0° |
| C10 | C9 | C8 | H5 | 53.3° | 60.0° |
| C10 | C9 | H6 | H7 | 118.3° | 120.0° |
| C9 | C8 | C6 | C7 | 103.2° | 95.0° |
| C9 | C8 | C6 | H4 | 119.9° | 120.0° |
| C9 | C8 | C6 | H5 | 119.8° | 120.0° |
| C9 | C8 | C6 | C4 | 73.2° | 84.9° |
| C9 | C8 | H4 | H5 | 120.4° | 120.0° |
| C8 | C9 | H6 | H7 | 118.3° | 120.0° |
| C6 | C7 | N | H3 | 180.0° | 179.7° |
| C7 | C6 | C8 | C4 | 176.4° | 179.9° |
| C6 | C7 | N | C3 | 0.4° | 0.0° |
| C7 | C6 | C4 | C3 | 0.6° | 0.0° |
| C7 | C6 | C4 | C5 | 179.7° | 180.0° |
| C7 | C6 | C8 | H4 | 137.0° | 145.0° |
| C7 | C6 | C8 | H5 | 16.7° | 25.0° |
| C6 | C7 | N | H12 | 179.6° | 180.0° |
| N | C7 | C6 | C8 | 176.3° | 180.0° |
| N | C7 | C6 | C4 | 0.6° | 0.1° |
| C7 | N | C3 | H12 | 180.0° | 180.0° |
| C7 | N | C3 | C4 | 0.0° | 0.0° |
| C7 | N | C3 | C2 | 179.9° | 180.0° |
| C8 | C6 | C4 | C3 | 176.5° | 180.0° |
| C8 | C6 | C4 | C5 | 3.2° | 0.1° |
| C8 | C6 | C7 | H3 | 3.7° | 0.3° |
| C6 | C8 | H4 | H5 | 120.5° | 120.0° |
| C6 | C8 | C9 | H6 | 52.5° | 60.0° |
| C6 | C8 | C9 | H7 | 66.3° | 60.0° |
| C6 | C4 | C3 | N | 0.3° | 0.0° |
| C6 | C4 | C3 | C5 | 179.7° | 179.9° |
| C6 | C4 | C3 | C2 | 179.5° | 180.0° |
| C6 | C4 | C5 | C | 179.3° | 179.9° |
| C4 | C6 | C7 | H3 | 179.4° | 179.8° |
| C4 | C6 | C8 | H4 | 46.7° | 35.1° |
| C4 | C6 | C8 | H5 | 167.0° | 155.1° |
| C6 | C4 | C5 | H9 | 0.7° | 0.1° |
| N | C3 | C4 | C2 | 179.8° | 180.0° |
| N | C3 | C4 | C5 | 179.9° | 179.9° |
| N | C3 | C2 | C1 | 179.7° | 179.9° |
| C3 | N | C7 | H3 | 179.6° | 179.7° |
| N | C3 | C2 | H10 | 0.3° | 0.0° |
| C3 | C4 | C5 | C | 0.3° | 0.0° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C5 | H9 | 179.6° | 180.0° |
| C4 | C3 | C2 | H10 | 179.9° | 180.0° |
| C4 | C3 | N | H12 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C | H9 | 180.0° | 180.0° |
| C4 | C5 | C | C1 | 0.2° | 0.0° |
| C4 | C5 | C | H11 | 179.9° | 179.9° |
| C3 | C2 | C1 | H10 | 180.0° | 180.0° |
| C3 | C2 | C1 | C | 0.2° | 0.0° |
| C3 | C2 | C1 | H8 | 179.7° | 180.0° |
| C2 | C3 | N | H12 | 0.1° | 0.0° |
| C5 | C | C1 | C2 | 0.1° | 0.0° |
| C5 | C | C1 | H11 | 180.0° | 180.0° |
| C5 | C | C1 | H8 | 179.9° | 180.0° |
| C2 | C1 | C | H8 | 180.0° | 180.0° |
| C2 | C1 | C | H11 | 179.8° | 180.0° |
| C1 | C | C5 | H9 | 179.8° | 180.0° |
| C | C1 | C2 | H10 | 179.7° | 180.0° |
| H3 | C7 | N | H12 | 0.4° | 0.3° |
| H4 | C8 | C9 | H6 | 172.4° | 60.0° |
| H4 | C8 | C9 | H7 | 53.5° | 180.0° |
| H5 | C8 | C9 | H6 | 67.3° | 180.0° |
| H5 | C8 | C9 | H7 | 173.8° | 60.0° |
| H8 | C1 | C2 | H10 | 0.3° | 0.0° |
| H8 | C1 | C | H11 | 0.2° | 0.0° |
| H9 | C5 | C | H11 | 0.2° | 0.0° |
